Geometry & MOs

Info

ID:	396740
PubChem CID:	135029119
Reduced:	NC12H12 (2)
Stoich.:	AB12C12 (2)
Weight, g/mol:	265.146664
ΔH_f, kcal/mol:	104.81
Dipole, Da:	0.81
IP(EA), eV:	-8.03(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanal

Drug info:

PubChemData

Smile

CC(C1=CN(C2=CC=CC=C21)CC=C)C3=CN(C4=CC=CC=C43)CC=C

DOS

IR

Vibrations